N'-(1-isoquinolin-3-ylethyl)-4-pyridin-2-yl-piperazine-1-carbothiohydrazide

Systemtic Name: N'-(1-isoquinolin-3-ylethyl)-4-pyridin-2-yl-piperazine-1-carbothiohydrazide Openeye Name: N'-[1-(3-isoquinolyl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide CAS Name: N'-[1-(3-isoquinolinyl)ethyl]-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide IUPAC Name: N'-(1-isoquinolin-3-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide Traditional Name: N'-[1-(3-isoquinolyl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide Formula: C21H24N6S MolecularWeight: 392.52046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N6S/c1-16(19-14-17-6-2-3-7-18(17)15-23-19)24-25-21(28)27-12-10-26(11-13-27)20-8-4-5-9-22-20/h2-9,14-16,24H,10-13H2,1H3,(H,25,28)